N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine

C54H39N5 — CID 90278178

IUPACN-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccccc5)c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C54H39N5/c1-54(2)46-30-15-12-28-42(46)44-34-45-43-29-14-17-32-49(43)58(50(45)35-47(44)54)40-26-18-23-38(33-40)41-27-13-16-31-48(41)59(39-24-10-5-11-25-39)53-56-51(36-19-6-3-7-20-36)55-52(57-53)37-21-8-4-9-22-37/h3-35H,1-2H3
InChIKeyPGQLJDYDGUCWLD-UHFFFAOYSA-N
MW757.94 g/mol
LogP13.75
Rot. Bonds7

About N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine

N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine (PubChem CID 90278178) has the molecular formula C54H39N5 and a molecular weight of 757.94 g/mol. Its IUPAC name is N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine
PubChem CID90278178
Molecular FormulaC54H39N5
Molecular Weight757.94 g/mol
Exact Mass757.32
IUPAC NameN-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccccc5)c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C54H39N5/c1-54(2)46-30-15-12-28-42(46)44-34-45-43-29-14-17-32-49(43)58(50(45)35-47(44)54)40-26-18-23-38(33-40)41-27-13-16-31-48(41)59(39-24-10-5-11-25-39)53-56-51(36-19-6-3-7-20-36)55-52(57-53)37-21-8-4-9-22-37/h3-35H,1-2H3
InChIKeyPGQLJDYDGUCWLD-UHFFFAOYSA-N
XLogP13.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.94
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine (CID 90278178) is N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccccc5)c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.
What is the InChIKey of N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine?
The InChIKey is PGQLJDYDGUCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5/c1-54(2)46-30-15-12-28-42(46)44-34-45-43-29-14-17-32-49(43)58(50(45)35-47(44)54)40-26-18-23-38(33-40)41-27-13-16-31-48(41)59(39-24-10-5-11-25-39)53-56-51(36-19-6-3-7-20-36)55-52(57-53)37-21-8-4-9-22-37/h3-35H,1-2H3.
What are the key properties of N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine?
N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine has a molecular weight of 757.94 g/mol, XLogP of 13.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90278178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).